Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.33 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6231747 | 0.94 | ABL1 (0.35) | ABL1ABCB1BCRCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6232941 | 0.85 | NPC1 (0.31) | EDNRBEDNRA | |
| SCHEMBL8194644 | 0.85 | CHRNB2 (0.34) | HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6230272 | 0.83 | CHRNB2 (0.33) | HTR1AHTR7 | |
| Hydrochloric Acid SCHEMBL6227402 | 0.83 | DRD2 (0.35) | ABL1ABCB1BCRCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6232193 | 0.83 | ABL1 (0.35) | ABL1ABCB1BCRCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6232043 | 0.82 | CYP3A4 (0.34) | ABL1ABCB1BCRCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6230602 | 0.82 | BRD4 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6231467 | 0.81 | DRD2 (0.36) | ABL1ABCB1BCRCYP3A4CYP2C9 | |
| Hydrochloric Acid SCHEMBL6230627 | 0.81 | EDNRB (0.33) | EDNRBEDNRA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1313747-B1 | METHOD FOR PRODUCING ALKYL-BRIDGED LIGAND SYSTEMS AND TRANSITION METAL COMPOUNDS | BASELL POLYOLEFINE GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |